UCSF

ZINC39593420

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2010 14 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.29 1.58 -55.94 4 5 1 94 197.214 3
Hi High (pH 8-9.5) 0.29 1.29 -7.72 3 5 0 92 196.206 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )